SCHEMBL29809108

SCHEMBL29809108

N#CC(Cc1ccc2[nH]ncc2c1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00
▸ CTSK P43235 1/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16045052 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL19187989 0.93 CTSC (1.00) CTSC
SCHEMBL14822301 0.93 CTSC (1.00) CTSC
SCHEMBL16064674 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL14821905 0.88 CTSC (1.00) CTSC
SCHEMBL16064545 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643499 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL22643427 0.84 CTSC (0.73) CTSCCTSK
SCHEMBL19367940 0.82 CTSC (0.70) CTSCCTSK
SCHEMBL14822157 0.81 CTSC (1.00) CTSC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707140-B Protease C inhibitors 勃林格殷格翰国际有限公司 2022-07-22 — — CN disclosed
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